SCHEMBL13199544

SCHEMBL13199544

COc1cc2c(cc1NS(C)(=O)=O)OC(C)(C)[C@H](O)[C@H]2NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 9/20 0.41
ABCC9 O60706 3/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5664620 0.86 ALDH1A1 (0.42) ABCB1ABCC9ALDH1A1MEN1KMT2A
SCHEMBL5664623 0.86 ALDH1A1 (0.42) ABCB1ABCC9ALDH1A1MEN1KMT2A
SCHEMBL14327004 0.83 ABCB1 (0.44) ABCB1ABCC9
SCHEMBL14327000 0.80 KCNH2 (0.44) ABCB1ABCC9MEN1KMT2A
SCHEMBL2883993 0.80 KCNA5 (0.41) ABCB1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13199547 0.77 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2889524 0.77 IDO1 (0.40) ABCB1ABCC9ALDH1A1MEN1KMT2A
SCHEMBL2889523 0.77 IDO1 (0.40) ABCB1ABCC9ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5662679 0.76 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5664658 0.76 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718629-B1 Benzopyran compounds useful for the treatment of arrhytmia NISSAN CHEMICAL IND LTD (JP) 2012-12-26 EP disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed